Geometry & MOs

Info

ID:	237948
PubChem CID:	92722989
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	441.01466
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	1.03
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(5-bromopyridin-2-yl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C[C@@H](C1=CC=CS1)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations